N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-ethyl-1-methylpyrazole-5-carboxamide

C22H27N5O — CID 24792090

IUPACN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1
InChIInChI=1S/C22H27N5O/c1-5-16-12-21(26(4)25-16)22(28)24-18-9-7-11-20-17(18)13-23-27(20)19-10-6-8-14(2)15(19)3/h6,8,10,12-13,18H,5,7,9,11H2,1-4H3,(H,24,28)
InChIKeySGJMISOKPTWCGI-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.59
Rot. Bonds4

About N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-ethyl-1-methylpyrazole-5-carboxamide

N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 24792090) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID24792090
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1
InChIInChI=1S/C22H27N5O/c1-5-16-12-21(26(4)25-16)22(28)24-18-9-7-11-20-17(18)13-23-27(20)19-10-6-8-14(2)15(19)3/h6,8,10,12-13,18H,5,7,9,11H2,1-4H3,(H,24,28)
InChIKeySGJMISOKPTWCGI-UHFFFAOYSA-N
XLogP3.59
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-ethyl-1-methylpyrazole-5-carboxamide (CID 24792090) is N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1.
What is the InChIKey of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is SGJMISOKPTWCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-5-16-12-21(26(4)25-16)22(28)24-18-9-7-11-20-17(18)13-23-27(20)19-10-6-8-14(2)15(19)3/h6,8,10,12-13,18H,5,7,9,11H2,1-4H3,(H,24,28).
What are the key properties of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-ethyl-1-methylpyrazole-5-carboxamide?
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 24792090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).